Abstract It is now established that crystalline cellulose held together not just by hydrogen bonding, but also dispersion forces and electrostatic attraction modulated stereoelectronic factors such as the exo-anomeric effect. The surface chains of native microfibrils differ in C6 conformation from therefore form different bonds, both outward inward. Dispersion forces, influenced conformation, o...

The subspace Hamiltonian technique, introduced several years ago, has proved convenient for determining bound states and resonances associated with surfaces and defects. Here we discuss the extension of this technique to other problems, including total-energy calculations and real-time computer simulations. %e prove several theorems and report numerical calculations that help to explain the use...